![(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate structure](/static/products/436/436099-66-0.png)
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate
概要：(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate（CAS 436099-66-0）是一种化学化合物，分子式为C31H39N5O7S+2，分子量为625.26 g/mol。河南科弘生物科技有限公司提供CRO/CDMO定制合成服务，支持克级到吨级规格。
(4S,5R,6S)-3-[[9-[2-[4-(2-amino-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
又称：(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate, [(4S,5beta)-3-[1,1-Dioxo-6-[2-[4-(2-oxo-2-aminoethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-1-thia(VI)-2-azaacenaphthene-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylic acid]anion, 1-(2-Amino-2-oxoethyl)-4-[2-[2-[[(4S,5R,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-1,1-dioxido-2H-naphth[1,8-cd]isothiazol-6-yl]ethyl]-1,4-diazoniabicyclo[2.2.2]octane, 2-[[(5beta)-2-Carboxy-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-3-yl]methyl]-6-[2-[4-(carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide
| 分子式 | C31H39N5O7S+2 |
|---|---|
| 分子量 | 625.26 g/mol |
| LogP | 0.2333 |
| 拓扑极性表面积 | 158.31 Ų |
| 氢键供体数 | 3 |
| 氢键受体数 | 6 |
| 可旋转键数 | 9 |
| 精确质量 | 625.257 |
| 重原子数 | 44 |
| 复杂度 | 1745.122 |
化学标识符
| CAS 编号 | 436099-66-0 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1CN3C4=CC=CC5=C(C=CC(=C54)S3(=O)=O)CC[N+]67CC[N+](CC6)(CC7)CC(=O)N)C(=O)O)[C@@H](C)O |
产品概述
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate（CAS 436099-66-0），分子式为C31H39N5O7S+2，分子量为625.26 g/mol。IUPAC名：(4S,5R,6S)-3-[[9-[2-[4-(2-amino-2-oxoethyl)-1,4-diazoniabicyclo[2.2.2]octan-1-yl]ethyl]-2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaen-3-yl]methyl]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid。
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate化学性质概览
属性洞察：(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate的XLogP值为0.2333，表明具有中等亲脂性，在水溶性和膜透过性之间取得平衡。 TPSA为158.31 Ų，极性较高，提示该化合物膜透过性可能受限但水溶性较好。 根据Lipinski五规则，(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate有3个氢键供体和6个氢键受体，可能需要考虑配方优化。
常见问题
常见问题
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate的CAS号是多少？
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate的CAS号为436099-66-0。
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate的分子式是什么？
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate的分子式为C31H39N5O7S+2。
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate的分子量是多少？
(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate的分子量为625.26 g/mol。
在哪里可以购买(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate？
您可以直接向科弘生物询价(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate。联系我们或发送邮件至info@kehongbio.com获取报价和库存信息。
科弘生物是否提供(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate的定制合成服务？
是的，科弘生物提供(4S,5beta)-3-[[6-[2-[4-(Carbamoylmethyl)-1,4-diazoniabicyclo[2.2.2]octane-1-yl]ethyl]-2H-naphtho[1,8-cd]isothiazole 1,1-dioxide]-2-ylmethyl]-4alpha-methyl-6beta-[(R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hepta-2-ene-2-carboxylate及相关化合物的定制合成服务。请联系我们并告知您的具体需求，包括数量、纯度和交期。